DyAgPb
Alexandria ALEXAlex-ID: agm005222076 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_3_spg194
DyAgPb
2023-05-18 04:51:20.772848
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222076).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005222076
data_agm005222076
_cell_length_a 4.87397
_cell_length_b 4.87609
_cell_length_c 7.71107
_cell_angle_alpha 90.00154
_cell_angle_beta 90.01534
_cell_angle_gamma 59.98282
_cell_volume 158.68076
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1 Pb 0.66662 0.66668 0.08627 1.00000
Pb2 Pb 0.33338 0.33332 0.91373 1.00000
Ag1 Ag 0.33340 0.33331 0.50178 1.00000
Ag2 Ag 0.66660 0.66669 0.49822 1.00000
Dy1 Dy 0.00020 0.99990 0.71110 1.00000
Dy2 Dy 0.99980 0.00010 0.28890 1.00000
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